SCHEMBL8508980

SCHEMBL8508980

CC(C)(C)Cn1nnc2c(Br)c(OCc3cc(Cl)ccn3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CCR4 P51679 1/20 0.31
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9897179 0.85 GRM2 (0.35) GRM2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8510317 0.85 SYK (0.38) GRM2
SCHEMBL8513859 0.84 HTR2A (0.39) GRM2HTR2CSLC6A4HTR2ANPC1
SCHEMBL8511158 0.84 PTGER1 (0.41) GRM2HTR2CSLC6A4HTR2ASMN1; SMN2
SCHEMBL8511726 0.84 GRM2 (0.37) GRM2
SCHEMBL8510115 0.82 GRM2 (0.36) GRM2
SCHEMBL8513426 0.82 GRM2 (0.49) GRM2HTR2CSLC6A4HTR2AHTR2B
SCHEMBL8510372 0.81 GRM2 (0.38) GRM2
SCHEMBL8509112 0.81 GRM2 (0.38) GRM2NPC1RAB9A
SCHEMBL8510134 0.81 GRM2 (0.45) GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885HTR2C 130/4885SLC6A4 361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.